Hi, Sam, I think you have the same crystal form as that which was reported. The screw axes are not assigned when you index and integrate your data. HKL2000 will assign the unit cell edges from shortest to longest for a, b, and c. You'll assign the screw axes when you scale the data. It looks like you'll have to permute the axes to agree with the reported crystal form. There are examples in the HKL2000 manual for permuting axes during scaling. Good luck,
Hidong U Sam <[EMAIL PROTECTED]> Sent by: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> 02/19/2007 11:15 AM Please respond to U Sam <[EMAIL PROTECTED]> To CCP4BB@JISCMAIL.AC.UK cc Subject [ccp4bb] axis of unit cell change Hi I crystallized a protein in different condition than reported before and structure had been already reported by other group. In both cases space group is P21 21 2 Right now I am not interested in solving the structure, but to look for some other properties. I see a difference in cell dimension as follows. Reported structure a = 96.54 b = 121.95 c = 75.33 For my crystal a = 75.03 b = 96.50 c = 121.98 This the cell dimensions are ~equal in lengths but are associated with different axis compare to the reported crysta structure. I used HKL2000 for indexing. I would like to know why the above difference in cell dimensions. Is there any way I can index my data which would give cell parameters of reported structure? thanks in advance for any suggestion/comments. sam _________________________________________________________________ Find a local pizza place, movie theater, and more….then map the best route! http://maps.live.com/?icid=hmtag1&FORM=MGAC01
